5-BROMO-4-CHLORO-3-INDOLYL-ALPHA-D-GLUCOPYRANOSIDE CAS#: 108789-36-2; ChemWhat Code: 95230

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name5-BROMO-4-CHLORO-3-INDOLYL-ALPHA-D-GLUCOPYRANOSIDE
IUPAC Name(2R,3R,4S,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Structure
CAS Registry Number 108789-36-2
EINECS NumberNo data available
MDL NumberMFCD00155606
Beilstein Registry NumberNo data available
Synonyms5-bromo-4-chloro-3-indolyl-α-d-glucopyranoside5-bromo-4-chloro-3-indolyl-β-D-glucopyranoside5-bromo-4-chloro-3-indolyl α-glucopyranoside5-bromo-4-chloro-3-indolyl-alpha-D-glucopyranoside5-bromo-4-chloro-3-indolyl-beta-D-glucopyranoside5-bromo-4-chloro-3-indolyl-α-D-glucoside5-bromo-4-chloro-3-indolyl-a-D-glucoside
Molecular FormulaC14H15BrClNO6
Molecular Weight408.629
InChIInChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13-,14+/m1/s1
InChI KeyOPIFSICVWOWJMJ-HRNXZZBMSA-N
Canonical SMILESOC[C@H]1OC@Hc23)C@HC@@H[C@@H]1O
Patent Information
No data available

Physical Data

AppearanceOff-white or white powder
SolubilityNo data available
Flash Point361℃
Refractive index1.6110 (estimate)
SensitivityNo data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS CodeNo data available
StorageStore below -15°C, sealed and away from light.
Shelf Life1 year
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight408.633
logP2.208
HBA6
HBD5
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)115.17
Rotatable Bond (RotB)3
Matching Veber Rules2
Bioactivity
Pharmacological Data
1 of 1Comment (Pharmacological Data)physiological behaviour discussed
Use Pattern
Commonly used as a substrate for indole-based enzymes.

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